{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Example lactam analysis using a single cores on a very large dataset."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from rdkit.Chem.Draw import IPythonConsole\n",
    "IPythonConsole.ipython_useSVG=True\n",
    "from rdkit.Chem import rdRGroupDecomposition\n",
    "from rdkit.Chem.rdRGroupDecomposition import RGroupDecomposition\n",
    "import pandas as pd\n",
    "from rdkit.Chem import PandasTools\n",
    "from IPython.display import HTML\n",
    "from rdkit import rdBase\n",
    "rdBase.DisableLog(\"rdApp.debug\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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       "' fill='#191919'/>\n",
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       "Q 215.5 8.7, 215.0 9.1\n",
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       "Q 217.5 18.2, 215.9 18.2\n",
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       "L 213.1 16.3\n",
       "' fill='#CCCC00'/>\n",
       "</svg>\n"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x17cf8006a40>"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "core = Chem.MolFromSmiles('O=C1C([*])C2N1C(C(O)=O)=C([*])CS2')\n",
    "core"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "To use RGroupDecomposition:\n",
    "  \n",
    "  1. construct the class on the core rg = RGroupDecomposition(core)\n",
    "  2. Call rg.Add( mol ) on the molecules.  If this returns -1, the molecule is not\n",
    "     compatible with the core\n",
    "  3. After all molecules are added, call rg.Process() to complete the rgroup\n",
    "     decomposition."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Added 1194 to RGroup Decomposition out of 4340\n"
     ]
    }
   ],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()\n",
    "ps.rgroupLabelling = rdRGroupDecomposition.RGroupLabelling.MDLRGroup\n",
    "rg = RGroupDecomposition(core,ps)\n",
    "\n",
    "mols = []\n",
    "count = 0\n",
    "for line in open(\"compounds.txt\"):\n",
    "    sm = line.split()[-1]\n",
    "    m = Chem.MolFromSmiles(sm)\n",
    "    if m:\n",
    "        count += 1\n",
    "        mols.append(m)\n",
    "        idx = rg.Add(m)\n",
    "rg.Process()\n",
    "print (\"Added %s to RGroup Decomposition out of %s\"%(idx, count))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "It is useful to disable logging here.  When making RGroup renderings there \n",
    "are a lot of sanitization warnings."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import RDLogger\n",
    "RDLogger.DisableLog(\"rdApp.*\")"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "The RGroupDecomposition code is quite compatible with the python pandas integration.\n",
    "Calling rg.GetRGroupsAsColumns() can be sent directly into a pandas table.\n",
    "\n",
    "**n.b.** You need to call PandasTools.ChangeMoleculeRendering(frame) to allow the molecules\n",
    "to be rendered properly."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "        vertical-align: top;\n",
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       "\n",
       "    .dataframe thead th {\n",
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R2</th>\n",
       "    </tr>\n",
       "  </thead>\n",
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       "      <th>0</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
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       "    <tr>\n",
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       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
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       "      <th>2</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
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       "    <tr>\n",
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       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
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       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
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       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>7</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
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       "    <tr>\n",
       "      <th>8</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>10</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
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       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                                                 Core  \\\n",
       "0   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "1   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "2   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "3   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "4   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "5   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "6   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "7   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "8   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "9   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "10  <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "\n",
       "                                                   R1  \\\n",
       "0   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "1   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "2   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "3   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "4   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "5   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "6   <rdkit.Chem.rdchem.Mol object at 0x0000017C8AF...   \n",
       "7   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...   \n",
       "8   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...   \n",
       "9   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...   \n",
       "10  <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...   \n",
       "\n",
       "                                                   R2  \n",
       "0   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "1   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "2   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "3   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "4   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "5   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "6   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "7   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "8   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "9   <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  \n",
       "10  <rdkit.Chem.rdchem.Mol object at 0x0000017C93E...  "
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "from rdkit.Chem import Draw\n",
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()\n",
    "ps.rgroupLabelling = rdRGroupDecomposition.RGroupLabelling.MDLRGroup\n",
    "rg = RGroupDecomposition(core,ps)\n",
    "\n",
    "idx = 0\n",
    "for m in mols:\n",
    "    idx = rg.Add(m)\n",
    "    if idx>=10:\n",
    "        break\n",
    "rg.Process()\n",
    "cols = rg.GetRGroupsAsColumns()\n",
    "#Draw.MolsToGridImage(cols['R1'])\n",
    "frame = pd.DataFrame(cols)\n",
    "PandasTools.ChangeMoleculeRendering(frame)\n",
    "frame"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['*NC(=O)/C(=N\\\\O)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\O)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\O)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\OC)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\O)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\OCC(C)C)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\OCCF)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\O)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\O)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\O)c1csc(N)n1 |atomProp:0.dummyLabel.R1|',\n",
       " '*NC(=O)/C(=N\\\\OC1CCCC1)c1csc(N)n1 |atomProp:0.dummyLabel.R1|']"
      ]
     },
     "execution_count": 24,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "r1s = [Chem.MolToCXSmiles(x) for x in cols['R1']]\n",
    "r1s"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {},
   "outputs": [
    {
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       "</svg>"
      ],
      "text/plain": [
       "<IPython.core.display.SVG object>"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Draw.MolsToGridImage([Chem.MolFromSmiles(x) for x in r1s])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "frame = pd.DataFrame(rg.GetRGroupsAsColumns())\n",
    "PandasTools.ChangeMoleculeRendering(frame)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {
    "collapsed": true
   },
   "source": [
    "Just show the first few (for speed and to keep the notebook small)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R2</th>\n",
       "      <th>R3</th>\n",
       "      <th>R4</th>\n",
       "      <th>R5</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "      <td style=\"text-align: center;\"><div style=\"width: 200px; height: 200px\" data-content=\"rdkit/molecule\"><img src=\"\" alt=\"Mol\"/></div></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "f2 = pd.DataFrame(frame.head())\n",
    "PandasTools.ChangeMoleculeRendering(f2)\n",
    "HTML(f2.to_html())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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